MINTEQ program

Felmy, A. R. Girvin, D. C. and Jenne, E. A. "MINTEQ - A Computer Program for Calculating Aqueous Geochemical Equilibria" Battelle, Pacific Northwest Laboratories Richland, Washington (in preparation). 

Illustration of the distribution of chemical species in an example output of the MINTEQ speciation program... 

The data sets WATEQ4F.dat, MINTEQ.dat, PHREEQC.dat and LLNL.dat are automatically installed with the program PHREEQC and can be chosen from the menu item Calculations/File under Database File. The internal structure of these thermodynamic data sets has already been explained in great detail in chapter... 

The thermodynamic equilibrium models, including surface complexation models, require the solution of a complex mathematical equation system. For this reason, many computer programs (e.g., CHEAQC, CHEMEQL, CHESS, EQ3/6, F1TEQL, Geochemist s Workbench, H ARPHRQ, JESS, MINTEQ and its versions, NETPATH, PHREEQC, PHRQPITZ, WHAM, etc.) have been developed to calculate the concentration and activity of chemical species, estimate the type and amount of minerals formed or dissolved, and the type and amount of sorbed complexes. 

These programs are able to model the geological systems soil/rock-aqueous solution systems that is the concentration and distribution of the thermodynamically stable species can be determined based on the total concentrations of the components and the parameters just mentioned. In addition, the programs can also be used to estimate thermodynamic equilibrium constants and/or surface parameters from the concentrations of the species determined through experiments. Thermodynamic equilibrium constants can be found in tables (Pourbaix 1966) or databases (e.g., Common Thermodynamic Database Project, CHESS, MINTEQ, Visual MINTEQ, NEA Thermodynamical Data Base Project (TDB), JESS, Thermo-Calc Databases). Some programs (e.g., NETPATH, PHREEQC) also consider the flowing parameters. 

Felmy A. R., Girvin D. C., and Jenne E. A. (1984) MINTEQ— A Computer Program for Calculating Aqueous Geochemical Equilibria. US Environ. Prot. Agency (EPA-600/3-84-032). 

Felmy, A.R., Girvin, D.C. and Jenne, E.A., MINTEQ - A computer program for calculating aqueous qeochemical equilibria. Batelle, Pacific Northwest Laboratories, Richland, WA, 1983, pp 84. 

The NEA Data Bank maintains a library of computer programs in various areas. This includes geochemical codes such as PHREEQE, EQ3/6, MINEQL, MINTEQ and PHRQPITZ, in which chemical thermodynamic data like those presented in this book are required as the basic input data. These computer codes can be obtained on request from the NEA Data Bank. 

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